By far, the most popular method in quantum chemistry and material science is Density Functional Theory (DFT) because it combines modest cost with relatively high accuracy. The use of DFT blossomed ...

Authors: Logan Burnett and Cheng-Chien Chen Department of Physics INTRODUCTION: Density functional theory (DFT) is a widely used method for calculating the electronic properties of materials. The ...

Andrew Zangwill, Hartree and Thomas: the forefathers of density functional theory, Archive for History of Exact Sciences, Vol. 67, No. 3 (May 2013), pp. 331-348 ...